5-amino-3-chloro-2-(cycloheptylamino)benzamide

C14H20ClN3O — CID 107193767

IUPAC5-amino-3-chloro-2-(cycloheptylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NC1CCCCCC1
InChIInChI=1S/C14H20ClN3O/c15-12-8-9(16)7-11(14(17)19)13(12)18-10-5-3-1-2-4-6-10/h7-8,10,18H,1-6,16H2,(H2,17,19)
InChIKeySLMFOJWEMPJTBR-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.16
Rot. Bonds3

About 5-amino-3-chloro-2-(cycloheptylamino)benzamide

5-amino-3-chloro-2-(cycloheptylamino)benzamide (PubChem CID 107193767) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(cycloheptylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(cycloheptylamino)benzamide
PubChem CID107193767
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-amino-3-chloro-2-(cycloheptylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NC1CCCCCC1
InChIInChI=1S/C14H20ClN3O/c15-12-8-9(16)7-11(14(17)19)13(12)18-10-5-3-1-2-4-6-10/h7-8,10,18H,1-6,16H2,(H2,17,19)
InChIKeySLMFOJWEMPJTBR-UHFFFAOYSA-N
XLogP3.16
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
CID 107196417
3-amino-5-chloro-4-(cyclohexylamino)benzamide
CID 56773062
2-bromo-6-chloro-1-N-cyclohexylbenzene-1,4-diamine
CID 50879510
5-amino-3-chloro-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 107195201
5-amino-3-chloro-2-(oxan-3-ylamino)benzoic acid
CID 107195861
2-chloro-1-N-cyclohexyl-6-methoxybenzene-1,4-diamine
CID 50879419
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(cycloheptylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(cycloheptylamino)benzamide (CID 107193767) is 5-amino-3-chloro-2-(cycloheptylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(cycloheptylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(cycloheptylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NC1CCCCCC1.
What is the InChIKey of 5-amino-3-chloro-2-(cycloheptylamino)benzamide?
The InChIKey is SLMFOJWEMPJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-8-9(16)7-11(14(17)19)13(12)18-10-5-3-1-2-4-6-10/h7-8,10,18H,1-6,16H2,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-(cycloheptylamino)benzamide?
5-amino-3-chloro-2-(cycloheptylamino)benzamide has a molecular weight of 281.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(cycloheptylamino)benzamide is sourced from PubChem (CID 107193767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).